4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

C13H16BrCl2NO3S — CID 115362863

IUPAC4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CCCC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H16BrCl2NO3S/c14-9-5-10(15)12(11(16)6-9)21(19,20)17-7-13(8-18)3-1-2-4-13/h5-6,17-18H,1-4,7-8H2
InChIKeyAMRHSIIEBZDSBZ-UHFFFAOYSA-N
MW417.15 g/mol
LogP3.59
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 115362863) has the molecular formula C13H16BrCl2NO3S and a molecular weight of 417.15 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID115362863
Molecular FormulaC13H16BrCl2NO3S
Molecular Weight417.15 g/mol
Exact Mass414.94
IUPAC Name4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CCCC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H16BrCl2NO3S/c14-9-5-10(15)12(11(16)6-9)21(19,20)17-7-13(8-18)3-1-2-4-13/h5-6,17-18H,1-4,7-8H2
InChIKeyAMRHSIIEBZDSBZ-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.15
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
5-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 115755592
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755685
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357865
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 103965250
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (CID 115362863) is 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(CO)CCCC1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is AMRHSIIEBZDSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO3S/c14-9-5-10(15)12(11(16)6-9)21(19,20)17-7-13(8-18)3-1-2-4-13/h5-6,17-18H,1-4,7-8H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 417.15 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 115362863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).